peakfit: Peak Fitting

In ChristianGoueguel/specProc: Preprocessing Tools For Laser-Induced Breakdown Spectroscopy (LIBS) Spectra

Peak Fitting

Description

Fitting of a single spectral line by lineshape functions with variable parameters.

Usage

peakfit(
  x,
  profile = "voigt",
  wL = NULL,
  wG = NULL,
  A = NULL,
  wlgth.min = NULL,
  wlgth.max = NULL,
  id = NULL,
  max.iter = 200
)

Arguments

x	A data frame or tibble
profile	A character specifying the lineshape function to be used: "lorentzian", "gaussian" or "voigt"
wL	A numeric specifying the Lorentzian full width at half maximum (initial guess)
wG	A numeric specifying the Gaussian full width at half maximum (initial guess)
A	A numeric specifying the peak area (initial guess)
wlgth.min	A numeric specifying the lower bound of the wavelength subset
wlgth.max	A numeric specifying the upper bound of the wavelength subset
id	A character specifying the spectra id (optional)
max.iter	A numeric specifying the maximum number of iteration (200 by default)

Details

The function uses minpack.lm::nlsLM, which is based on the Levenberg-Marquardt algorithm for searching the minimum value of the square of the sum of the residuals.

Value

Fitted value and the estimated parameters along with the corresponding errors

Author(s)

Christian L. Goueguel

ChristianGoueguel/specProc documentation built on Nov. 9, 2024, 3:23 p.m.